Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pwp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N LEU 18.A O no hydrogen 2.882 N/A SER 5.A OG SER 17.A OG no hydrogen 2.751 N/A GLU 6.A N PHE 16.A O no hydrogen 3.012 N/A MET 10.A N SER 8.A OG no hydrogen 3.066 N/A TRP 11.A N SER 8.A O no hydrogen 3.078 N/A SER 17.A OG SER 5.A OG no hydrogen 2.751 N/A LEU 18.A N PHE 4.A O no hydrogen 2.948 N/A ILE 20.A N LYS 2.A O no hydrogen 2.873 N/A LYS 21.A N GLU 38.A O no hydrogen 2.808 N/A LYS 22.A N GLU 38.A O no hydrogen 3.268 N/A LEU 24.A N VAL 36.A O no hydrogen 2.695 N/A TYR 25.A N VAL 36.A O no hydrogen 3.105 N/A THR 27.A N VAL 34.A O no hydrogen 3.098 N/A SER 29.A N GLN 32.A O no hydrogen 2.937 N/A SER 29.A OG GLN 32.A O no hydrogen 3.285 N/A SER 29.A OG ASP 109.A OD1 no hydrogen 3.514 N/A SER 29.A OG ASP 109.A OD2 no hydrogen 2.630 N/A LYS 30.A NZ TYR 31.A OH no hydrogen 3.384 N/A TYR 31.A N SER 29.A OG no hydrogen 2.881 N/A GLN 32.A N SER 29.A OG no hydrogen 3.126 N/A GLN 32.A NE2 ASP 109.A OD2 no hydrogen 2.932 N/A ASN 33.A N ASP 49.A OD1 no hydrogen 2.838 N/A VAL 34.A N THR 27.A O no hydrogen 2.898 N/A LEU 35.A N VAL 47.A O no hydrogen 2.891 N/A VAL 36.A N TYR 25.A O no hydrogen 2.875 N/A PHE 37.A N VAL 45.A O no hydrogen 3.212 N/A GLU 38.A N LYS 22.A O no hydrogen 2.859 N/A SER 39.A N GLY 43.A O no hydrogen 2.744 N/A SER 39.A OG GLY 43.A O no hydrogen 2.719 N/A THR 40.A N LYS 19.A O no hydrogen 2.951 N/A THR 40.A OG1 LYS 19.A O no hydrogen 3.550 N/A TYR 42.A N SER 39.A OG no hydrogen 2.731 N/A LYS 44.A N GLU 56.A OE1 no hydrogen 2.826 N/A LYS 44.A NZ TYR 119.A O no hydrogen 2.533 N/A VAL 45.A N PHE 37.A O no hydrogen 2.836 N/A LEU 46.A N LEU 54.A O no hydrogen 2.934 N/A VAL 47.A N LEU 35.A O no hydrogen 2.707 N/A LEU 48.A N VAL 51.A O no hydrogen 2.823 N/A ASP 49.A N ASN 33.A O no hydrogen 2.774 N/A VAL 51.A N LEU 48.A O no hydrogen 2.882 N/A ILE 52.A N GLU 6.A OE2 no hydrogen 2.747 N/A GLN 53.A N LEU 46.A O no hydrogen 2.824 N/A THR 55.A OG1 ASP 58.A OD1 no hydrogen 2.834 N/A GLU 56.A N LYS 44.A O no hydrogen 2.973 N/A LYS 57.A N TYR 42.A O no hydrogen 3.283 N/A ASP 58.A N THR 55.A O no hydrogen 3.423 N/A GLU 59.A N THR 55.A O no hydrogen 3.115 N/A ALA 61.A N ASP 58.A O no hydrogen 3.054 N/A TYR 62.A OH ASP 156.A OD1 no hydrogen 2.827 N/A HIS 63.A N GLU 59.A O no hydrogen 3.006 N/A HIS 63.A ND1 GLU 59.A OE1 no hydrogen 2.616 N/A GLU 64.A N PHE 60.A O no hydrogen 2.978 N/A MET 65.A N ALA 61.A O no hydrogen 3.222 N/A MET 66.A N TYR 62.A O no hydrogen 2.987 N/A THR 67.A N HIS 63.A O no hydrogen 3.027 N/A THR 67.A OG1 HIS 63.A O no hydrogen 2.832 N/A HIS 68.A N GLU 64.A O no hydrogen 2.811 N/A HIS 68.A ND1 TYR 97.A OH no hydrogen 2.766 N/A HIS 68.A NE2 GLU 93.A OE1 no hydrogen 2.739 N/A VAL 69.A N MET 65.A O no hydrogen 3.344 N/A MET 71.A N THR 67.A O no hydrogen 3.070 N/A THR 72.A N HIS 68.A O no hydrogen 3.153 N/A THR 72.A OG1 HIS 68.A O no hydrogen 2.590 N/A THR 72.A OG1 VAL 69.A O no hydrogen 3.217 N/A THR 72.A OG1 TYR 259.A OH no hydrogen 3.015 N/A THR 72.A OG1 HIS 264.A ND1 no hydrogen 3.306 N/A VAL 73.A N PRO 70.A O no hydrogen 3.199 N/A SER 74.A N PRO 70.A O no hydrogen 2.976 N/A LYS 78.A N ASP 151.A OD2 no hydrogen 2.565 N/A ASN 79.A N ASP 151.A OD2 no hydrogen 2.948 N/A ASN 79.A ND2 ASN 102.A O no hydrogen 3.082 N/A VAL 80.A N ASN 102.A O no hydrogen 2.846 N/A LEU 81.A N VAL 152.A O no hydrogen 3.009 N/A VAL 82.A N ASP 104.A O no hydrogen 2.799 N/A VAL 83.A N ILE 154.A O no hydrogen 2.925 N/A GLY 84.A N CYS 106.A O no hydrogen 2.805 N/A GLY 86.A N GLU 107.A OE1 no hydrogen 2.901 N/A GLY 88.A N GLY 85.A O no hydrogen 3.087 N/A GLY 89.A N ASP 87.A OD1 no hydrogen 2.888 N/A ARG 92.A N GLY 88.A O no hydrogen 2.823 N/A ARG 92.A NE GLU 93.A OE2 no hydrogen 2.973 N/A ARG 92.A NH1 GLU 59.A OE1 no hydrogen 3.518 N/A ARG 92.A NH1 GLU 59.A OE2 no hydrogen 3.054 N/A ARG 92.A NH1 ASN 122.A O no hydrogen 3.314 N/A ARG 92.A NH2 GLU 59.A OE1 no hydrogen 3.042 N/A ARG 92.A NH2 GLU 59.A OE2 no hydrogen 3.458 N/A ARG 92.A NH2 GLU 93.A OE2 no hydrogen 2.788 N/A GLU 93.A N GLY 89.A O no hydrogen 3.333 N/A LEU 94.A N ILE 90.A O no hydrogen 2.920 N/A CYS 95.A N ILE 91.A O no hydrogen 2.979 N/A CYS 95.A SG ILE 91.A O no hydrogen 3.441 N/A CYS 95.A SG GLY 126.A O no hydrogen 3.905 N/A LYS 96.A N GLU 93.A O no hydrogen 3.252 N/A LYS 96.A NZ GLU 93.A OE1 no hydrogen 2.696 N/A LYS 96.A NZ GLU 93.A OE2 no hydrogen 3.181 N/A LYS 96.A NZ ASP 255.A OD1 no hydrogen 3.391 N/A TYR 97.A N LEU 94.A O no hydrogen 3.037 N/A TYR 97.A OH HIS 68.A ND1 no hydrogen 2.766 N/A VAL 100.A N TYR 97.A O no hydrogen 3.161 N/A GLU 101.A N LYS 78.A O no hydrogen 2.894 N/A ASN 102.A N LYS 78.A O no hydrogen 2.937 N/A ASN 102.A ND2 ASP 104.A OD1 no hydrogen 2.943 N/A ILE 103.A N ARG 131.A O no hydrogen 3.092 N/A ASP 104.A N VAL 80.A O no hydrogen 2.847 N/A ILE 105.A N ASN 133.A O no hydrogen 2.985 N/A CYS 106.A N VAL 82.A O no hydrogen 2.876 N/A CYS 106.A SG GLU 137.A O no hydrogen 3.017 N/A GLU 107.A N PHE 135.A O no hydrogen 3.038 N/A ASP 109.A N GLU 107.A OE2 no hydrogen 2.946 N/A THR 111.A N ASP 109.A OD1 no hydrogen 3.049 N/A THR 111.A OG1 ASP 109.A OD1 no hydrogen 3.298 N/A VAL 112.A N ASP 109.A O no hydrogen 2.914 N/A GLU 114.A N GLU 110.A O no hydrogen 2.855 N/A VAL 115.A N THR 111.A O no hydrogen 2.829 N/A SER 116.A N VAL 112.A O no hydrogen 2.993 N/A SER 116.A OG ASP 87.A O no hydrogen 2.689 N/A LYS 117.A N ILE 113.A O no hydrogen 2.894 N/A ILE 118.A N GLU 114.A O no hydrogen 3.124 N/A ILE 118.A N VAL 115.A O no hydrogen 3.143 N/A TYR 119.A N VAL 115.A O no hydrogen 2.837 N/A PHE 120.A N SER 116.A O no hydrogen 2.845 N/A ILE 123.A N PHE 120.A O no hydrogen 2.967 N/A SER 124.A N PHE 120.A O no hydrogen 2.893 N/A SER 124.A OG SER 116.A O no hydrogen 2.877 N/A SER 124.A OG PHE 120.A O no hydrogen 2.934 N/A CYS 125.A SG ASN 122.A O no hydrogen 3.864 N/A TYR 127.A N SER 124.A O no hydrogen 3.083 N/A TYR 127.A OH GLY 86.A O no hydrogen 2.647 N/A GLU 128.A N CYS 125.A O no hydrogen 3.104 N/A ASP 129.A N GLY 126.A O no hydrogen 3.042 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.953 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 2.987 N/A ARG 131.A NH1 TYR 97.A O no hydrogen 2.964 N/A ARG 131.A NH1 VAL 100.A O no hydrogen 2.713 N/A ARG 131.A NH2 CYS 95.A O no hydrogen 2.896 N/A ARG 131.A NH2 ASP 129.A OD2 no hydrogen 3.183 N/A VAL 132.A N ASP 129.A O no hydrogen 3.051 N/A ASN 133.A N ILE 103.A O no hydrogen 2.864 N/A PHE 135.A N ILE 105.A O no hydrogen 2.919 N/A LYS 141.A N ASP 138.A OD2 no hydrogen 3.182 N/A PHE 142.A N ASP 138.A O no hydrogen 2.918 N/A LEU 143.A N ALA 139.A O no hydrogen 2.862 N/A GLU 144.A N.A SER 140.A O no hydrogen 3.140 N/A GLU 144.A N.B SER 140.A O no hydrogen 3.138 N/A GLU 144.A N.B LYS 141.A O no hydrogen 3.145 N/A ASN 145.A N LYS 141.A O no hydrogen 3.027 N/A ASN 145.A N PHE 142.A O no hydrogen 3.121 N/A VAL 146.A N PHE 142.A O no hydrogen 2.972 N/A THR 147.A OG1 ASN 148.A OD1 no hydrogen 3.523 N/A TYR 150.A N ALA 179.A O no hydrogen 2.736 N/A TYR 150.A OH ASP 104.A OD2 no hydrogen 2.574 N/A ASP 151.A N ASN 79.A O no hydrogen 2.897 N/A ILE 153.A N TYR 185.A O no hydrogen 2.859 N/A ILE 154.A N LEU 81.A O no hydrogen 2.835 N/A VAL 155.A N VAL 187.A O no hydrogen 2.888 N/A ASP 156.A N VAL 83.A O no hydrogen 2.830 N/A SER 157.A OG SER 158.A O no hydrogen 2.554 N/A GLU 165.A N GLY 162.A O no hydrogen 3.113 N/A LEU 167.A N ALA 164.A O no hydrogen 3.092 N/A GLU 174.A N GLN 170.A O no hydrogen 3.467 N/A LYS 175.A N ASN 171.A O no hydrogen 3.322 N/A LYS 175.A NZ SER 140.A OG no hydrogen 2.847 N/A ILE 176.A N PHE 172.A O no hydrogen 3.106 N/A TYR 177.A N TYR 173.A O no hydrogen 2.939 N/A ASN 178.A N GLU 174.A O no hydrogen 2.850 N/A ALA 179.A N LYS 175.A O no hydrogen 3.116 N/A ALA 179.A N ILE 176.A O no hydrogen 3.050 N/A LEU 180.A N TYR 177.A O no hydrogen 3.218 N/A LYS 181.A N TYR 150.A O no hydrogen 2.791 N/A ASN 183.A N ASN 183.A OD1 no hydrogen 2.602 N/A GLY 184.A N LYS 181.A O no hydrogen 2.853 N/A TYR 185.A N ASP 151.A O no hydrogen 3.012 N/A CYS 186.A N CYS 234.A O no hydrogen 3.142 N/A CYS 186.A SG ILE 153.A O no hydrogen 3.541 N/A CYS 186.A SG VAL 187.A O no hydrogen 3.766 N/A VAL 187.A N ILE 153.A O no hydrogen 3.043 N/A ALA 188.A N LEU 232.A O no hydrogen 2.915 N/A GLN 189.A N VAL 155.A O no hydrogen 3.054 N/A CYS 190.A N GLY 230.A O no hydrogen 2.856 N/A TRP 194.A N SER 192.A OG no hydrogen 3.230 N/A ILE 195.A N SER 192.A O no hydrogen 3.206 N/A HIS 196.A N.A SER 192.A O no hydrogen 3.435 N/A THR 199.A N HIS 196.A O.B no hydrogen 3.218 N/A ILE 200.A N HIS 196.A O.A no hydrogen 3.353 N/A ILE 200.A N HIS 196.A O.B no hydrogen 3.355 N/A LYS 201.A N VAL 197.A O no hydrogen 2.884 N/A ASN 202.A N GLY 198.A O no hydrogen 3.058 N/A MET 203.A N THR 199.A O no hydrogen 2.873 N/A ILE 204.A N ILE 200.A O no hydrogen 2.999 N/A GLY 205.A N LYS 201.A O no hydrogen 2.937 N/A TYR 206.A N ASN 202.A O no hydrogen 2.991 N/A ALA 207.A N MET 203.A O no hydrogen 3.008 N/A LYS 208.A N ILE 204.A O no hydrogen 3.040 N/A LEU 210.A N ALA 207.A O no hydrogen 3.139 N/A PHE 211.A N ALA 207.A O no hydrogen 2.820 N/A LYS 212.A N SER 235.A O no hydrogen 3.205 N/A LYS 213.A N SER 235.A O no hydrogen 3.380 N/A LYS 213.A NZ ASP 238.A O no hydrogen 3.323 N/A GLU 215.A N CYS 233.A O no hydrogen 2.890 N/A TYR 216.A OH GLU 191.A O no hydrogen 2.617 N/A ALA 217.A N ILE 231.A O no hydrogen 3.160 N/A ASN 218.A N ALA 267.A O no hydrogen 2.939 N/A ILE 219.A N ILE 229.A O no hydrogen 2.845 N/A SER 220.A N TYR 258.A OH no hydrogen 3.171 N/A ILE 221.A N GLY 227.A O no hydrogen 3.081 N/A THR 223.A N ASP 58.A OD2 no hydrogen 3.207 N/A THR 223.A OG1 ASP 58.A OD1 no hydrogen 3.228 N/A THR 223.A OG1 ASP 58.A OD2 no hydrogen 2.763 N/A TYR 224.A N ILE 221.A O no hydrogen 3.425 N/A TYR 224.A OH GLN 53.A O no hydrogen 2.751 N/A CYS 226.A SG GLN 14.A OE1 no hydrogen 3.948 N/A GLY 227.A N TYR 224.A O no hydrogen 2.695 N/A CYS 228.A SG SER 192.A OG no hydrogen 3.645 N/A CYS 228.A SG ASN 218.A OD1 no hydrogen 3.547 N/A ILE 229.A N ILE 219.A O no hydrogen 3.040 N/A GLY 230.A N CYS 190.A O no hydrogen 2.835 N/A ILE 231.A N ALA 217.A O no hydrogen 2.796 N/A LEU 232.A N ALA 188.A O no hydrogen 2.788 N/A CYS 233.A N GLU 215.A O no hydrogen 2.745 N/A CYS 233.A SG ILE 231.A O no hydrogen 3.695 N/A CYS 234.A N CYS 186.A O no hydrogen 2.839 N/A SER 235.A N LYS 213.A O no hydrogen 2.902 N/A LYS 236.A NZ TYR 177.A O no hydrogen 2.926 N/A LYS 236.A NZ LEU 180.A O no hydrogen 2.984 N/A LYS 236.A NZ LYS 181.A O no hydrogen 3.084 N/A THR 237.A OG1 THR 239.A OG1 no hydrogen 3.119 N/A THR 239.A OG1 THR 237.A OG1 no hydrogen 3.119 N/A LEU 241.A N GLU 215.A OE1 no hydrogen 2.732 N/A ASN 245.A N THR 72.A O no hydrogen 2.719 N/A ASN 245.A ND2 VAL 73.A O no hydrogen 2.962 N/A LYS 246.A NZ MET 71.A O no hydrogen 2.930 N/A LYS 246.A NZ SER 74.A O no hydrogen 2.705 N/A LYS 246.A NZ LYS 75.A O no hydrogen 3.380 N/A PHE 253.A N SER 250.A O no hydrogen 2.910 N/A LEU 256.A N PHE 253.A O no hydrogen 3.180 N/A LYS 257.A N GLU 64.A OE1 no hydrogen 3.299 N/A LYS 257.A N GLU 64.A OE2 no hydrogen 2.814 N/A TYR 258.A N GLU 64.A OE1 no hydrogen 2.879 N/A TYR 259.A N GLU 64.A OE1 no hydrogen 2.859 N/A TYR 259.A OH HIS 264.A ND1 no hydrogen 2.659 N/A ASN 260.A N ASN 263.A OD1.A no hydrogen 3.251 N/A ASN 263.A N ASN 260.A OD1 no hydrogen 2.944 N/A ASN 263.A ND2.A TYR 258.A O no hydrogen 2.739 N/A ASN 263.A ND2.B TYR 258.A O no hydrogen 3.219 N/A HIS 264.A N ASN 260.A O no hydrogen 3.212 N/A HIS 264.A ND1 TYR 259.A OH no hydrogen 2.659 N/A HIS 264.A NE2 LEU 241.A O no hydrogen 2.769 N/A SER 265.A OG GLU 262.A O no hydrogen 3.167 N/A ALA 266.A N GLU 262.A O no hydrogen 3.144 N/A ALA 267.A N ASN 263.A O no hydrogen 3.114 N/A PHE 268.A N SER 265.A O no hydrogen 2.955 N/A LYS 269.A N ALA 266.A O no hydrogen 2.822 N/A LEU 274.A N PRO 271.A O no hydrogen 2.881 N/A LEU 275.A N PRO 271.A O no hydrogen 3.300 N/A LYS 276.A N ALA 272.A O no hydrogen 3.107 N/A GLU 277.A N PHE 273.A O no hydrogen 3.189 N/A ILE 278.A N LEU 274.A O no hydrogen 2.905 N/A